SCHEMBL17192039

SCHEMBL17192039

COc1ccc(COc2cc3[nH]c(=O)n(CCN4CCCC4)c(=O)c3cc2OCc2ccc(OC)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
CYP3A4 P08684 2/20 0.55
CYP2C9 P11712 2/20 0.55
NPSR1 Q6W5P4 2/20 0.55
ALDH1A1 P00352 6/20 0.54
HPGD P15428 2/20 0.54
KMT2A Q03164 2/20 0.54
MEN1 O00255 1/20 0.54
HTR3A P46098 1/20 0.52
HSD17B10 Q99714 5/20 0.51
MAPT P10636 3/20 0.51
GAA P10253 3/20 0.51
GLA P06280 2/20 0.51
HTT P42858 1/20 0.51
LMNA P02545 1/20 0.51
CACNA1G O43497 1/20 0.51
RXFP1 Q9HBX9 1/20 0.49
MAPK1 P28482 1/20 0.48
ADRA1A P35348 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15680542 0.78 KCNH2 (0.49) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL15680243 0.78 KCNH2 (0.49) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL15680598 0.76 KCNH2 (0.49) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL15680244 0.76 KCNH2 (0.47) KDM4EALDH1A1KMT2AMEN1HSD17B10
SCHEMBL15680656 0.75 KDM4E (0.52) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL15680232 0.74 RAD52 (0.53) CACNA1G
SCHEMBL15680387 0.72 KCNH2 (0.52)
SCHEMBL10643431 0.72 MEN1 (0.76) KDM4ESMN1; SMN2CYP3A4ALDH1A1KMT2A
SCHEMBL10642555 0.71 ADRA2A (0.81) KDM4ECYP3A4ALDH1A1KMT2AMEN1
SCHEMBL10085041 0.71 KDM4E (0.51) KDM4ENPSR1ALDH1A1HPGDKMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10174053-B2 2 substituted cephem compounds GLAXO GROUP LIMITED (GB) 2019-01-08 US disclosed
US-20170281532-A1 2 SUBSTITUTED CEPHEM COMPOUNDS GLAXO GROUP LIMITED (GB) 2017-10-05 US disclosed
US-20170281532-A1 2 SUBSTITUTED CEPHEM COMPOUNDS GLAXO GROUP LIMITED (GB) 2017-10-05 US disclosed
US-20150299223-A1 2-SUBSTITUTED CEPHEM COMPOUNDS GLAXO GROUP LTD (GB) 2015-10-22 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20170281532-A1 2 SUBSTITUTED CEPHEM COMPOUNDS CEP170, CES2, CMBL KDM4E 1724/4885SMN1; SMN2 4325/4885CYP3A4 315/4885
US-20150299223-A1 2-SUBSTITUTED CEPHEM COMPOUNDS CEP170, ABL1, CEPT1 KDM4E 2208/4885SMN1; SMN2 4571/4885CYP3A4 1980/4885
US-10174053-B2 2 substituted cephem compounds CEP170, CES2, CMBL KDM4E 1724/4885SMN1; SMN2 4325/4885CYP3A4 315/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.